CHEMBL418426
SMILES | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 |
InChIKey | APUDCNQYHMVMEC-OBGWFSINSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 360.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Rat | Adenosine | A | pKi | 4.45 | 4.45 | 4.45 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 5.23 | 5.23 | 5.23 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |